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4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4GVW
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BU of 4gvw by Molmil
Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast Structural Genomics Consortium (NESG) Target OR248
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, De novo designed serine hydrolase, ...
Authors:Kuzin, A, Lew, S, Seetharaman, J, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-08-31
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Northeast Structural Genomics Consortium Target OR248
To be Published
4G4M
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BU of 4g4m by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3(6-13)
Descriptor: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, alpha4F3(6-13)
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
1QCZ
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BU of 1qcz by Molmil
CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY
Descriptor: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
Authors:Ealick, S.E, Mathews, I.I.
Deposit date:1999-05-10
Release date:1999-11-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
4G3B
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BU of 4g3b by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3d
Descriptor: ACETYL GROUP, alpha4F3d
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-13
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
6TVJ
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BU of 6tvj by Molmil
Solution structure of PD-i3 peptide inhibitor of the human PD-1 extracellular domain
Descriptor: PD-i3 peptide
Authors:Guardiola, S, Varese, M, Garcia, J, Giralt, E.
Deposit date:2020-01-09
Release date:2021-01-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Target-templated de novo design of macrocyclic d-/l-peptides: discovery of drug-like inhibitors of PD-1.
Chem Sci, 12, 2021
8QAA
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BU of 8qaa by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
Descriptor: antiparallel 6-helix bundle-ALIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAB
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BU of 8qab by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex
Descriptor: 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane, apCCHex
Authors:Naudin, E.N, Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAI
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BU of 8qai by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 7 inner helices, sc-CC-7-LI
Descriptor: DI(HYDROXYETHYL)ETHER, sc-CC-7-LI
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
Descriptor: sc-CC-8-58
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QKD
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BU of 8qkd by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 5 inner helices, sc-CC-5-24
Descriptor: DI(HYDROXYETHYL)ETHER, sc-CC-5-24
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-09-15
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAD
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BU of 8qad by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA
Descriptor: DODECAETHYLENE GLYCOL, sc-apCC-6-LLIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAC
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BU of 8qac by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA
Descriptor: antiparallel 8-helix bundle-GLIA
Authors:Albanese, K.I, Dawson, W.M, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAF
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BU of 8qaf by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
Descriptor: sc-apCC-8
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAE
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BU of 8qae by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
Descriptor: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, PENTAETHYLENE GLYCOL, sc-apCC-6-SLLA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
Descriptor: HEEH mini-protein TK_rd5_0958
Authors:Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
Deposit date:2022-07-12
Release date:2022-10-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
2JGO
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BU of 2jgo by Molmil
Structure of the arsenated de novo designed peptide Coil Ser L9C
Descriptor: ARSENIC, COIL SER L9C, ZINC ION
Authors:Touw, D.S, Nordman, C.E, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2007-02-13
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identifying Important Structural Characteristics of Arsenic Resistance Proteins by Using Designed Three-Stranded Coiled Coils.
Proc.Natl.Acad.Sci.USA, 104, 2007
4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
Authors:Longo, L.M, Tenorio, C.A, Blaber, M.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
4J19
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BU of 4j19 by Molmil
Structure of a novel telomere repeat binding protein bound to DNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*A)-3'), ...
Authors:Kappei, D, Butter, F, Benda, C, Scheibe, M, Draskovic, I, Stevense, M, Lopes Novo, C, Basquin, C, Krastev, D.B, Kittler, R, Jessberger, R, Londono-Vallejo, A.J, Mann, M, Buchholz, F.
Deposit date:2013-02-01
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HOT1 is a mammalian direct telomere repeat-binding protein contributing to telomerase recruitment.
Embo J., 32, 2013
8P4Y
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BU of 8p4y by Molmil
Coiled-coil protein origami triangle
Descriptor: GLYCEROL, Protein origami triangle
Authors:Satler, T, Hadzi, S, Jerala, R.
Deposit date:2023-05-23
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Crystal Structure of de Novo Designed Coiled-Coil Protein Origami Triangle.
J.Am.Chem.Soc., 145, 2023
6U91
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BU of 6u91 by Molmil
Crystal structure of DNMT3B(Q772R)-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.99998879 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms
To Be Published
6U90
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BU of 6u90 by Molmil
Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.00081754 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms
To Be Published
3O4C
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BU of 3o4c by Molmil
Crystal structure of Symfoil-4V: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
3O4B
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BU of 3o4b by Molmil
Crystal structure of Symfoil-4T: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011

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數據於2024-08-28公開中

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